(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H18N2O4 — CID 114343978

IUPAC(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(O)c1O)N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O4/c16-9-8-14-4-6-15(7-5-14)13(19)10-2-1-3-11(17)12(10)18/h1-3,16-18H,4-9H2
InChIKeyFEPPIAONYRWNSB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.15
Rot. Bonds3

About (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 114343978) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID114343978
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(O)c1O)N1CCN(CCO)CC1
InChIInChI=1S/C13H18N2O4/c16-9-8-14-4-6-15(7-5-14)13(19)10-2-1-3-11(17)12(10)18/h1-3,16-18H,4-9H2
InChIKeyFEPPIAONYRWNSB-UHFFFAOYSA-N
XLogP-0.15
TPSA84.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2,3-dihydroxyphenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 114344314
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-(2,3-dihydroxyphenyl)methanone
CID 114343086
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 111750501
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
(2,6-dihydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107689707
(2,3-dihydroxyphenyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone
CID 70764595
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
(4-fluoro-2-hydroxyphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107015715
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434

Frequently Asked Questions

What is the IUPAC name of (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 114343978) is (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cccc(O)c1O)N1CCN(CCO)CC1.
What is the InChIKey of (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is FEPPIAONYRWNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-9-8-14-4-6-15(7-5-14)13(19)10-2-1-3-11(17)12(10)18/h1-3,16-18H,4-9H2.
What are the key properties of (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 266.30 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 114343978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).